Bimolecular homolytic substitution reactions of thermal fluorine-18 atoms with organotin compounds in the gas phase

1982 ◽  
Vol 86 (14) ◽  
pp. 2677-2681 ◽  
Author(s):  
Makoto Kikuchi ◽  
John A. Cramer ◽  
R. Subramonia Iyer ◽  
Joan P. Frank ◽  
F. S. Rowland
Keyword(s):  
Gas Phase ◽  
Organotin Compounds ◽  
Substitution Reactions ◽  
Homolytic Substitution

Gas-phase homolytic substitution reactions of hydrogen atoms at silicon centers

1986 ◽  
Vol 5 (6) ◽  
pp. 1231-1235 ◽  
Author(s):  
L. Fabry ◽  
P. Potzinger ◽  
B. Reimann ◽  
A. Ritter ◽  
H. P. Steenbergen
Keyword(s):  
Gas Phase ◽  
Hydrogen Atoms ◽  
Substitution Reactions ◽  
Homolytic Substitution

STUDIES ON NUCLEOPHILIC SUBSTITUTION REACTIONS AT CARBON (SN2(C)) AND SILICON (SN2(Si)) IN TERMS OF AB INITIO, POTENTIAL, ACTING ON AN ELECTRON IN A MOLECULE AND MOLECULAR FACE THEORY

2009 ◽  
Vol 08 (supp01) ◽  
pp. 983-1001 ◽  
Author(s):  
YAN-LI DING ◽  
LI-DONG GONG ◽  
DONG-XIA ZHAO ◽  
MING-BO ZHANG ◽  
ZHONG-ZHI YANG
Keyword(s):  
Ab Initio ◽  
Nucleophilic Substitution ◽  
Gas Phase ◽  
Chemical Bond ◽  
Energy Transition ◽  
High Energy ◽  
Ab Initio Method ◽  
Substitution Reactions ◽  
Nucleophilic Substitution Reactions ◽  
High Energy Transition

The gas-phase identity bimolecular nucleophilic substitution reactions, Cl- + CH3 Cl → ClCH3 + Cl- and Cl- + SiH3Cl → ClSiH3 + Cl- , are investigated in terms of the ab initio method, potential acting on an electron in a molecule (PAEM) and molecular face (MF) theory. The computations have been performed at the CCSD(T)/aug-cc-pVTZ//MP2/6-311+G(3df,3pd) and CISD/aug-cc-pVDZ level. Based on the ab initio calculation, according to the PAEM theory, the strength of a chemical bond during forming or rupturing may be characterized by the D pb , which is a new physical quantity relating to the barrier height of the PAEM along a chemical bond. According to the MF theory, the interesting pictures of electron transfer and interpolarization effect between the reactants are clearly demonstrated to provide visualized spatial changing features of the MF for the title reactions along the IRC routes. The reason why [ Cl⋯CH3⋯Cl]- is a high-energy transition state is also analyzed in comparison with the stable low-energy intermediate [ Cl⋯SiH3⋯Cl]- .

scholarly journals Experimental and Theoretical Study on the Gas-Phase Reactions of Germyl Radicals with NF3: Homolytic Substitution at the Nitrogen Atom vs Fluorine Abstraction

ACS Omega ◽  
2020 ◽  
Vol 5 (10) ◽  
pp. 4907-4914
Author(s):  
Paola Antoniotti ◽  
Paola Benzi ◽  
Domenica Marabello ◽  
Daniele Rosso
Keyword(s):  
Nitrogen Atom ◽  
Gas Phase ◽  
Theoretical Study ◽  
Gas Phase Reactions ◽  
Homolytic Substitution

Formation of cyclopropanes by homolytic substitution reactions of 3-iodopropyl radicals: Preparative and rate studies

Tetrahedron ◽  
1999 ◽  
Vol 55 (11) ◽  
pp. 3327-3336 ◽  
Author(s):  
Dennis P. Curran ◽  
Ana E. Gabarda
Keyword(s):  
Substitution Reactions ◽  
Homolytic Substitution

Gas phase anionic ipso substitution reactions of some alkyl phenyl ethers

1980 ◽  
Vol 21 (17) ◽  
pp. 1687-1690 ◽  
Author(s):  
J.C. Kleingeld ◽  
N.M.M. Nibbering
Keyword(s):  
Gas Phase ◽  
Substitution Reactions ◽  
Ipso Substitution ◽  
Phenyl Ethers
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